Cas no 29052-07-1 (Butanoic acid,3-iodophenyl ester)
29052-07-1 structure
Product Name:Butanoic acid,3-iodophenyl ester
CAS No:29052-07-1
MF:C10H11IO2
MW:290.097615480423
CID:239414
PubChem ID:613173
Update Time:2025-04-19
Butanoic acid,3-iodophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-iodophenyl ester
- (3-iodophenyl) butanoate
- Butyricacid, m-iodophenyl ester (8CI)
- Phenol, m-iodo-, butyrate (8CI)
- DTXSID40346550
- 29052-07-1
- Butyric acid, m-iodophenyl ester
- 3-Iodophenyl butyrate #
- JWOQOACTXCRCGB-UHFFFAOYSA-N
-
- Inchi： 1S/C10H11IO2/c1-2-4-10(12)13-9-6-3-5-8(11)7-9/h3,5-7H,2,4H2,1H3
- InChI Key： JWOQOACTXCRCGB-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)OC(CCC)=O
Computed Properties
- Exact Mass: 289.98038g/mol
- Monoisotopic Mass: 289.98038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
Butanoic acid,3-iodophenyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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